4,4'-(1-페닐에틸리덴)비스페놀
4,4'-(1-Phenylethylidene)bisphenol
기본 정보
- CAS
1571-75-1- 표준 SMILES
CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
VOWWYDCFAISREI-UHFFFAOYSA-N- 분자식
- C20H18O2
- 평균 분자량
- 290.4 g/mol
- 단동위원소 질량
- 290.13067981
개요
Bisphenol AP is a benzenoid aromatic compound.
이름 및 식별자
- 우선 이름
- 4,4'-(1-Phenylethylidene)bisphenol
- IUPAC
- 4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
- 현지명
- 4,4'-(1-페닐에틸리덴)비스페놀
- 영어명
- 4,4'-(1-Phenylethylidene) biphenol
- 분자식
- C20H18O2
- 분자량
- 290.36
이름 및 동의어
1571-75-14,4'-(1-Phenylethylidene)bisphenol1,1-Bis(4-hydroxyphenyl)-1-phenylethane4-[1-(4-hydroxyphenyl)-1-phenyl-ethyl]phenolDTXSID5051444EC 433-130-5DTXCID40300414-(1-(4-hydroxyphenyl)-1-phenyl-ethyl)phenolRefChem:506446433-130-5605-085-3Bisphenol AP
이름 더 보기
4,4'-(1-페닐에틸리덴)비스페놀Phenolicoligomer4,4'-(aLBisphenol ACPidene)bisphenoLIFLAB-BB F0701-0005Bisphenol AP SolutionC10655640 BisphenoLAPBisphenol Ap (100μg/mL)
4,4'-(1-phenylethane-1,1-diyl)diphenol4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenolPhenol, 4,4'-(1-phenylethylidene)bis-4,4-(1-Phenylethane-1,1-diyl)diphenol4,4-(1-Phenylethylidene) biphenol4,4'-(1-Phenylethylidene) biphenolMFCD001346874,4'-(alpha-Methylbenzylidene)bisphenol
데이터베이스 식별자
- CAS
1571-75-1- PubChem CID
- 623849
- DTXSID
DTXSID5051444- ChEMBL
CHEMBL490942- ChEBI
CHEBI:165234- EC Number
- 433-130-5、605-085-3
- Nikkaji
- J93.703G
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 310
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
180.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5051444]
179.95 Ų [M-H]-
물리화학적 성질
- 녹는점
- 188 · 188-191 °C (lit.)
- 끓는 점
- 473.8 · 473.8±35.0 °C(Predicted)
- 밀도
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 용해도
- almost transparency in Methanol
- 산도 계수 (pKa)
- 10.22 · 10.22±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChI
- InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
- InChIKey
- VOWWYDCFAISREI-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=CC=C1)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: 1,1-bis(4-hydroxyphenyl)-1-phenylethane (EC: 433-130-5)
Hazard Classes and Categories
Eye Irrit. 2 (97.4%)
Eye Irrit. 2 (33.3%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- wgk
- 3
- HS 번호
- 29072990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- 98-3-1101
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Bisphenol AP may be used as an analytical reference standard for the quantification of the analyte in:Urine samples and beverages using liquid chromatography-tandem mass spectrometry (LC-MS/MS).Wastewaters using gas-chromatography coupled to mass spectrometry (GC-MS).
일반 설명Bisphenol AP (BPAP), an analog of bisphenol A (BPA), is an endocrine disruptor among the bisphenol analogs and one of the most used products in contact materials. It is reported to exert genotoxic potentials, greater than BPA.
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